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Manuscript title: Evidence of radical chemistry in catalytic methane oxybromination
Journal: Nature Catalysis
Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | López, Núria | - |
| dc.date.accessioned | 2018-02-01T14:33:20Z | - |
| dc.date.available | 2018-05-14T09:50:54Z | - |
| dc.date.created | 2018-02-01T15:33:19.017+01:00 | - |
| dc.date.issued | 2018-02-01T15:33:19.017+01:00 | - |
| dc.identifier.uri | https://iochem-bd.iciq.es/browse/handle/100/8713 | - |
| dc.description | 102_surface | - |
| dc.publisher | Institute of Chemical Research of Catalonia | - |
| dc.relation | Original title: Evidence of radical chemistry in catalytic methane oxybromination DOI: 10.1038/s41929-018-0071-z Journal: Nature Catalysis | * |
| dc.relation.ispartof | http://dx.doi.org/10.19061/iochem-bd-1-71 | - |
| dc.rights | CC BY 4.0 (c) Institute of Chemical Research of Catalonia, 2018 | - |
| dc.rights.uri | http://creativecommons.org/licenses/by/4.0/ | - |
| dc.title | EuOBr_surface | - |
| dc.type | dataset | - |
| dc.date.updated | 2018-02-01T14:33:20Z | - |
| cml.program.name | vasp | en |
| cml.program.version | 5.3.5 | en |
| cml.program.other | 31Mar14 (build May 07 2014 16:01:45) complex | en |
| cml.shelltype | Open shell | en |
| cml.energy.value | -378.46853794 | en |
| cml.energy.units | eV | en |
| cml.formula.generic | Br16Eu16O16 | en |
| cml.calculationtype | Geometry optimization | en |
| cml.hassolvent | false | en |
| cml.hasvibrationalfrequencies | false | en |
| cml.numberofjobs | 1 | en |
| cml.hasmolecularorbitals | false | en |
| Appears in Collections: | Computational Dataset for "Evidence of radical chemistry in catalytic methane oxybromination" - DOI: 10.19061/iochem-bd-1-71 | |
Please use this identifier to cite or link to this item:
https://iochem-bd.iciq.es/browse/handle/100/8713
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